3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide

C21H23N3O4 — CID 78803663

IUPAC3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)O)c(OC)c1
InChIInChI=1S/C21H23N3O4/c1-14(25)12-22-21(26)18-13-24(15-7-5-4-6-8-15)23-20(18)17-10-9-16(27-2)11-19(17)28-3/h4-11,13-14,25H,12H2,1-3H3,(H,22,26)
InChIKeyWWTIGYACWGWKMG-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.67
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide

3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 78803663) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
PubChem CID78803663
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)O)c(OC)c1
InChIInChI=1S/C21H23N3O4/c1-14(25)12-22-21(26)18-13-24(15-7-5-4-6-8-15)23-20(18)17-10-9-16(27-2)11-19(17)28-3/h4-11,13-14,25H,12H2,1-3H3,(H,22,26)
InChIKeyWWTIGYACWGWKMG-UHFFFAOYSA-N
XLogP2.67
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
CID 29202756
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 112765029
3-(2,4-dimethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46399913
3-(2,4-dimethoxyphenyl)-N-[2-(ethylamino)ethyl]-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119507189
3-(2,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 29207262
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 55753924
N-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 30942340
3-(2,4-dimethoxyphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 60605961
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-carboxamide
CID 35377857
3-(2,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 34766943
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55613160
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 30101728

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide (CID 78803663) is 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is WWTIGYACWGWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14(25)12-22-21(26)18-13-24(15-7-5-4-6-8-15)23-20(18)17-10-9-16(27-2)11-19(17)28-3/h4-11,13-14,25H,12H2,1-3H3,(H,22,26).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide?
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 78803663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).